Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.45 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5645472 | 0.85 | RAB9A (0.54) | ROCK1ROCK2ELOVL1KDM4ERAB9A | |
| SCHEMBL5645847 | 0.84 | RAB9A (0.52) | ROCK1ROCK2ELOVL1KDM4ERAB9A | |
| SCHEMBL12487245 | 0.83 | ELOVL1 (0.55) | ROCK1ROCK2ELOVL1KDM4ERAB9A | |
| SCHEMBL5648655 | 0.81 | LTA4H (0.43) | ELOVL1KDM4ERAB9ASMN1; SMN2KMT2A | |
| SCHEMBL5645540 | 0.77 | KDM4E (0.43) | ROCK1ROCK2ELOVL1KDM4ERAB9A | |
| SCHEMBL5645955 | 0.77 | RAB9A (0.54) | ELOVL1KDM4ERAB9ALMNASMN1; SMN2 | |
| SCHEMBL5643715 | 0.77 | AR (0.54) | ROCK1ROCK2ELOVL1KDM4ERAB9A | |
| SCHEMBL5643977 | 0.76 | GAA (0.47) | ELOVL1KDM4ESMN1; SMN2CYP19A1KMT2A | |
| SCHEMBL14367714 | 0.75 | ALDH1A1 (0.50) | ELOVL1KDM4ERAB9ALMNASMN1; SMN2 | |
| SCHEMBL5646967 | 0.75 | KDM4E (0.44) | ROCK1ROCK2ELOVL1KDM4ERAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7294640-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-11-13 | — | — | US | claimed |
| US-20050176776-A1 | kINESIN SPINDLE PROTEIN INHIBITOR; ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS; 4-(2,5-DIFLUORPHENYL)-N-3-FLUOROPYRROLIDIN-3-YL)-2-HYDROXYMETHYL-2-PHENYL-2,5 -DIHYDROXY-1N-PYRROL-1-CARBOXAMIDE | MERCK SHARP & DOHME CORP. | 2005-08-11 | — | — | US | claimed |
| US-7294640-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-11-13 | — | — | US | disclosed |
| US-7294640-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-11-13 | — | — | US | disclosed |
| US-7294640-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-11-13 | — | — | US | disclosed |
| US-20050176776-A1 | kINESIN SPINDLE PROTEIN INHIBITOR; ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS; 4-(2,5-DIFLUORPHENYL)-N-3-FLUOROPYRROLIDIN-3-YL)-2-HYDROXYMETHYL-2-PHENYL-2,5 -DIHYDROXY-1N-PYRROL-1-CARBOXAMIDE | MERCK SHARP & DOHME CORP. | 2005-08-11 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050176776-A1 | kINESIN SPINDLE PROTEIN INHIBITOR; ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS; 4-(2,5-DIFLUORPHENYL)-N-3-FLUOROPYRROLIDIN-3-YL)-2-HYDROXYMETHYL-2-PHENYL-2,5 -DIHYDROXY-1N-PYRROL-1-CARBOXAMIDE | KIF5B, KIF2C, KIFC1 | ROCK1 631/4885ROCK2 540/4885ELOVL1 3475/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.